CID 146155194

2416236-55-8

Structural Information

Molecular Formula
C14H21N3O5
SMILES
CCOC(=O)C1=C(OC(=N1)C2CN(C2)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C14H21N3O5/c1-5-20-12(18)9-10(15)21-11(16-9)8-6-17(7-8)13(19)22-14(2,3)4/h8H,5-7,15H2,1-4H3
InChIKey
AQCHWVBCNGQGAW-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14813 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15541 173.2
[M+Na]+ 334.13735 177.4
[M-H]- 310.14085 177.5
[M+NH4]+ 329.18195 178.8
[M+K]+ 350.11129 181.3
[M+H-H2O]+ 294.14539 160.1
[M+HCOO]- 356.14633 189.3
[M+CH3COO]- 370.16198 208.8
[M+Na-2H]- 332.12280 172.5
[M]+ 311.14758 185.4
[M]- 311.14868 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.